5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid

C9H7N3O2S — CID 64631898

IUPAC5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1cccnc1
InChIInChI=1S/C9H7N3O2S/c13-9(14)7-8(15-5-11-7)12-6-2-1-3-10-4-6/h1-5,12H,(H,13,14)
InChIKeyAFDCHQIMPVZSJN-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.98
Rot. Bonds3

About 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid

5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631898) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631898
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1cccnc1
InChIInChI=1S/C9H7N3O2S/c13-9(14)7-8(15-5-11-7)12-6-2-1-3-10-4-6/h1-5,12H,(H,13,14)
InChIKeyAFDCHQIMPVZSJN-UHFFFAOYSA-N
XLogP1.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 214841
2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 716091
5-(Pyridine-3-sulfonamido)thiazole-4-carboxylic acid
CID 86566878
2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 15623090
2-(3-Pyridyl)thiazole-4-carboxylic acid
CID 736513
2-[(Pyridin-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 18322931
2-(Pyridin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 23283855
4-Thiazolecarboxylic acid, 2-(3-chloro-2-pyridinyl)-
CID 71695382
2-(Pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 52903584
2-(3-Fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 71695287
4-Methyl-2-(pyridin-3-ylamino)thiazole-5-carboxylic acid
CID 71829438
5-[(4-Methylphenyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64630281

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid (CID 64631898) is 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1cccnc1.
What is the InChIKey of 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AFDCHQIMPVZSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-9(14)7-8(15-5-11-7)12-6-2-1-3-10-4-6/h1-5,12H,(H,13,14).
What are the key properties of 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid?
5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).